SCHEMBL6940366

SCHEMBL6940366

COc1ccc2sc(C(=O)Nc3ccccc3)c(OC(C)C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.74
SELE P16581 3/20 0.74
VCAM1 P19320 1/20 0.67
MPO P05164 1/20 0.66
CYSLTR1 Q9Y271 1/20 0.66
EDNRA P25101 1/20 0.58
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOB P27338 1/20 0.47
SENP5 Q96HI0 3/20 0.46
SENP2 Q9HC62 3/20 0.46
SENP1 Q9P0U3 3/20 0.46
NLRP3 Q96P20 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6938411 0.90 ICAM1 (0.70) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL9362610 0.90 ICAM1 (0.73) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6945234 0.89 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6936048 0.88 ICAM1 (0.70) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6940698 0.87 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6944508 0.87 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6939163 0.87 ICAM1 (0.62) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8443506 0.85 ICAM1 (1.00) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6945268 0.85 ICAM1 (0.81) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6940315 0.85 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 EP claimed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US claimed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP claimed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO claimed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US claimed
EP-0916666-B1 3-(1-Methylethoxy)benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 EP disclosed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US disclosed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
WO-1993015047-A1 AMINO ACID DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-05 WO disclosed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed